3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol

C10H12ClF2NO2 — CID 103731573

IUPAC3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol
SMILESOc1cccc(Cl)c1CNCC(O)C(F)F
InChIInChI=1S/C10H12ClF2NO2/c11-7-2-1-3-8(15)6(7)4-14-5-9(16)10(12)13/h1-3,9-10,14-16H,4-5H2
InChIKeyMOVLKOXUVAOMEB-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.76
Rot. Bonds5

About 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol

3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol (PubChem CID 103731573) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol
PubChem CID103731573
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Name3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol
SMILESOc1cccc(Cl)c1CNCC(O)C(F)F
InChIInChI=1S/C10H12ClF2NO2/c11-7-2-1-3-8(15)6(7)4-14-5-9(16)10(12)13/h1-3,9-10,14-16H,4-5H2
InChIKeyMOVLKOXUVAOMEB-UHFFFAOYSA-N
XLogP1.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
3-chloro-2-[(2-ethylbutylamino)methyl]phenol
CID 115625696
3-chloro-2-[(2,2,2-trifluoroethylamino)methyl]phenol
CID 114317858
3-chloro-2-[[[(3R)-3-hydroxybutyl]amino]methyl]phenol
CID 96958757
(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
CID 96921213
3-chloro-2-[(2-ethylhexylamino)methyl]phenol
CID 113276487
3-chloro-2-[(5-methylhexylamino)methyl]phenol
CID 79002895
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol
CID 103948931
3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol
CID 78960259
3-chloro-2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]phenol
CID 78959189
3-[(2,6-dichlorophenyl)methylamino]-2-hydroxypropanamide
CID 106170892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol (CID 103731573) is 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol is Oc1cccc(Cl)c1CNCC(O)C(F)F.
What is the InChIKey of 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol?
The InChIKey is MOVLKOXUVAOMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2/c11-7-2-1-3-8(15)6(7)4-14-5-9(16)10(12)13/h1-3,9-10,14-16H,4-5H2.
What are the key properties of 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol?
3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol has a molecular weight of 251.66 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol is sourced from PubChem (CID 103731573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).